| SpectraBase Compound ID | GgDT3idJcWh |
|---|---|
| InChI | InChI=1S/C14H13NO2/c1-10-8-12(14(16)17-2)13(15-9-10)11-6-4-3-5-7-11/h3-9H,1-2H3 |
| InChIKey | BYGVDKNXDCCVPX-UHFFFAOYSA-N |
| Mol Weight | 227.26 g/mol |
| Molecular Formula | C14H13NO2 |
| Exact Mass | 227.094629 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IwYUN4qLIYa |
|---|---|
| Name | Methyl 5-methyl-2-phenylpyridine-3-carboxylate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 227.094628661 u |
| Formula | C14H13NO2 |
| InChI | InChI=1S/C14H13NO2/c1-10-8-12(14(16)17-2)13(15-9-10)11-6-4-3-5-7-11/h3-9H,1-2H3 |
| InChIKey | BYGVDKNXDCCVPX-UHFFFAOYSA-N |
| Molecular Weight | 227.263 g/mol |
| SMILES | C=1(C(=NC=C(C1)C)C=1C=CC=CC1)C(=O)OC |